(3S)-oxolan-3-yl carbonochloridate

HCID 22876378

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 178153-11-2
標準SMILES: O=C(Cl)O[C@H]1CCOC1
InChIKey: BULSKJQNVXVGHX-BYPYZUCNSA-N
分子式: C5H7ClO3
平均分子量: 150.56 g/mol
単同位体質量: 150.00837176

名称と識別子

優先名称: (3S)-oxolan-3-yl carbonochloridate
IUPAC: [(3S)-oxolan-3-yl] carbonochloridate

名称と別名

178153-11-2(3S)-Oxolan-3-yl carbonochloridateDTXSID10628719RefChem:208310DTXCID90579472886-069-5(3S)-oxolan-3-yl chloroformateCarbonochloridic acid, (3S)-tetrahydro-3-furanyl ester(S)-Tetrahydrofuran-3-yl carbonochloridateSCHEMBL1509105BULSKJQNVXVGHX-BYPYZUCNSA-N(S)-tetrahydrofuran-3-yl chloroformate

名称をさらに表示

Chloroformic Acid 3(S)-tetrahydrofuranyl EsterEN300-1612782

データベース識別子

CAS: 178153-11-2
PubChem CID: 22876378
DTXSID: DTXSID10628719
EC Number: 886-069-5
Nikkaji: J345.338C

物性

構造計算による物性

XLogP: 1.2
極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 115

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.